SCHEMBL7658308

SCHEMBL7658308

CC(NC(=O)OC(C)(C)C)C(N)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.54
▸ PPARA Q07869 3/20 0.51
▸ CTSS P25774 4/20 0.48
▸ ATM Q13315 1/20 0.48
▸ CTSL P07711 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ PPARG P37231 2/20 0.46
▸ CTSK P43235 4/20 0.46
▸ CTSB P07858 1/20 0.46
▸ NTSR1 P30989 1/20 0.46
▸ KLK5 Q9Y337 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ACE P12821 1/20 0.45
▸ KLK7 P49862 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7679203 0.86 PPARA (0.53) SYKPPARACTSSATMCTSL
SCHEMBL13059488 0.86 SYK (0.55) SYKPPARACTSSATMCTSL
SCHEMBL28290407 0.85 SYK (0.57) SYKPPARACTSSATMCTSL
SCHEMBL20885274 0.85 SYK (0.54) SYKPPARACTSSATMCTSL
SCHEMBL22579840 0.85 SYK (0.54) SYKPPARACTSSATMCTSL
SCHEMBL20854198 0.85 SYK (0.54) SYKPPARACTSSATMCTSL
SCHEMBL20885281 0.85 SYK (0.54) SYKPPARACTSSATMCTSL
SCHEMBL648574 0.84 POLB (0.58) SYKPPARACTSSATMCTSL
SCHEMBL7512116 0.84 POLB (0.58) SYKPPARACTSSATMCTSL
SCHEMBL1463134 0.84 POLB (0.58) SYKPPARACTSSATMCTSL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6344452-B1 GASTRIN RECEPTOR ANTAGONIST, GASTROINTESTINAL DISORDERS, ETC ZERIA PHARMACEUTICALS CO., LTD. (JP) 2002-02-05 — — US disclosed
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